3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

C20H24N4O2 — CID 110217928

IUPAC3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1c(C2CCCN(C(=O)Cc3ccccn3)C2)n2c(nc1=O)CCC2
InChIInChI=1S/C20H24N4O2/c1-14-19(24-11-5-8-17(24)22-20(14)26)15-6-4-10-23(13-15)18(25)12-16-7-2-3-9-21-16/h2-3,7,9,15H,4-6,8,10-13H2,1H3
InChIKeyWXQUAQQOEHEVCP-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.84
Rot. Bonds3

About 3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 110217928) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID110217928
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESCc1c(C2CCCN(C(=O)Cc3ccccn3)C2)n2c(nc1=O)CCC2
InChIInChI=1S/C20H24N4O2/c1-14-19(24-11-5-8-17(24)22-20(14)26)15-6-4-10-23(13-15)18(25)12-16-7-2-3-9-21-16/h2-3,7,9,15H,4-6,8,10-13H2,1H3
InChIKeyWXQUAQQOEHEVCP-UHFFFAOYSA-N
XLogP1.84
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217869
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
5,5-dimethyl-3-[2-[3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110217940
1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110263455
1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110237598
4-[(3R)-1-[4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoyl]piperidin-3-yl]-3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92602732
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809803
1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809810
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 70730087
5,5-dimethyl-3-[1-[3-(3-methyl-2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]imidazolidine-2,4-dione
CID 110217942

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 110217928) is 3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is Cc1c(C2CCCN(C(=O)Cc3ccccn3)C2)n2c(nc1=O)CCC2.
What is the InChIKey of 3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is WXQUAQQOEHEVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-19(24-11-5-8-17(24)22-20(14)26)15-6-4-10-23(13-15)18(25)12-16-7-2-3-9-21-16/h2-3,7,9,15H,4-6,8,10-13H2,1H3.
What are the key properties of 3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?
3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 110217928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).